2-Propenenitrile, 2-chloro-

• Formula: C₃H₂ClN
• Molecular weight: 87.508
• IUPAC Standard InChI: InChI=1S/C3H2ClN/c1-3(4)2-5/h1H2 Copy

  
• IUPAC Standard InChIKey: OYUNTGBISCIYPW-UHFFFAOYSA-N Copy
• CAS Registry Number: 920-37-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Acrylonitrile, 2-chloro-; α-Chloroacrylonitrile; Chloroacrylonitrile; 2-Chloroacrylonitrile; Alpha-chloro acrylonitrile; Propenenitrile, 2-chloro-
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Robert L. Brown and Stephen E. Stein

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

Electron affinity determinations

Ionization energy determinations

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• LIQUID; PERKIN-ELMER (GRATING); DIGITIZED BY NIST FROM HARD COPY; 4 cm^-1 resolution
• LIQUID (NEAT); PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Ichihashi, Hirokawa, et al., 1995
Ichihashi, M.; Hirokawa, J.; Tsukuda, T.; Kondow, T.; Dessent, C.E.H.; Bailey, C.G.; Scarton, M.G., Characterization of the 2-chloroacrylonitrile negative ion using photoelectron and photofragmentation spectroscopies, J. Phys. Chem., 1995, 99, 6, 1655, https://doi.org/10.1021/j100006a006 . [all data]

Houk and Munchausen, 1976
Houk, K.N.; Munchausen, L.L., Ionization potentials, electron affinities, reactivities of cyanoalkenes related electron-deficient alkenes. A frontier molecular orbital treatment of cyanoalkene reactivities in cycloaddition, electrophilic, nucleophilic, and radical reactions., J. Am. Chem. Soc., 1976, 98, 937. [all data]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  EA	Electron affinity
  Tboil	Boiling point

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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